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Extraction and ab initio calculation studies on the complexation of Ca2+ with valinomycin

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F09%3A00323504" target="_blank" >RIV/61389013:_____/09:00323504 - isvavai.cz</a>

  • Alternative codes found

    RIV/60461373:22340/09:00021795 RIV/49777513:23520/09:00501653

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Extraction and ab initio calculation studies on the complexation of Ca2+ with valinomycin

  • Original language description

    From extraction experiments and ?-activity measurements, the exchange extraction constant corresponding to the equilibrium of Ca2+ with valinomycin taking place in the two-phase water-nitrobenzene system was evaluated. Further, the stability constant ofthe valinomycin-calcium complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C. By using quantum mechanical DFT calculations, the most probable structure of the complex of valinomycin with Ca2+ and H2O was predicted.

  • Czech name

    Studium komplexace Ca2+ s valinomycinem pomocí extrakce a ab inicio výpočtů

  • Czech description

    Pomocí extrakčních experimentů a měření ?-aktivity byla stanovena extrakční konstanta odpovídající rovnováze Ca2+ s valinomycinem ve dvoufázovém systému voda-nitrobenzen. Dále byla vypočítána stabilizační konstanta komplexu valinomycin-vápník v nitrobenzenu saturovaném vodou při teplotě 25 °C. Pomocí kvantově mechanických DFT výpočtů byla předpovězena nejpravděpodobnější struktura komplexu valinomycinu s Ca2+ a H2O.

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CD - Macromolecular chemistry

  • OECD FORD branch

Result continuities

  • Project

    <a href="/en/project/1ET400500402" target="_blank" >1ET400500402: Computer modelling of chmical structures for the design of macromolecular systems with new biological, mechanical and electronic properties</a><br>

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2009

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Radioanalytical and Nuclear Chemistry

  • ISSN

    0236-5731

  • e-ISSN

  • Volume of the periodical

    279

  • Issue of the periodical within the volume

    2

  • Country of publishing house

    HU - HUNGARY

  • Number of pages

    7

  • Pages from-to

  • UT code for WoS article

    000262673500026

  • EID of the result in the Scopus database